N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide

C22H19N7O3 — CID 91891089

IUPACN-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)cc1
InChIInChI=1S/C22H19N7O3/c1-14-7-9-16(10-8-14)23-17(30)13-28-11-12-29-19(22(28)31)18(25-27-29)21-24-20(26-32-21)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,30)
InChIKeyNANKZMSBIXTSRY-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.40
Rot. Bonds5

About N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide

N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 91891089) has the molecular formula C22H19N7O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID91891089
Molecular FormulaC22H19N7O3
Molecular Weight429.44 g/mol
Exact Mass429.15
IUPAC NameN-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)cc1
InChIInChI=1S/C22H19N7O3/c1-14-7-9-16(10-8-14)23-17(30)13-28-11-12-29-19(22(28)31)18(25-27-29)21-24-20(26-32-21)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,30)
InChIKeyNANKZMSBIXTSRY-UHFFFAOYSA-N
XLogP2.40
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91891107
5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
CID 91891120
2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]-N-phenylacetamide
CID 15988295
2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 50786153
5-[(2-fluorophenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
CID 91891140
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
(3R)-1-benzyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95740886
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 45281557
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 31001493
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide (CID 91891089) is N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide is Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is NANKZMSBIXTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3/c1-14-7-9-16(10-8-14)23-17(30)13-28-11-12-29-19(22(28)31)18(25-27-29)21-24-20(26-32-21)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,30).
What are the key properties of N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 429.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 91891089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).